1-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-2-ylpiperidine

C14H27N3 — CID 62977717

IUPAC1-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-2-ylpiperidine
SMILESCN1CCC(N2CCCC(C3CCCN3)C2)C1
InChIInChI=1S/C14H27N3/c1-16-9-6-13(11-16)17-8-3-4-12(10-17)14-5-2-7-15-14/h12-15H,2-11H2,1H3
InChIKeyKRULFAIAHIDRJU-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.15
Rot. Bonds2

About 1-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-2-ylpiperidine

1-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-2-ylpiperidine (PubChem CID 62977717) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-2-ylpiperidine
PubChem CID62977717
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-2-ylpiperidine
SMILESCN1CCC(N2CCCC(C3CCCN3)C2)C1
InChIInChI=1S/C14H27N3/c1-16-9-6-13(11-16)17-8-3-4-12(10-17)14-5-2-7-15-14/h12-15H,2-11H2,1H3
InChIKeyKRULFAIAHIDRJU-UHFFFAOYSA-N
XLogP1.15
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-methylazepan-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678465
1,2,3,4,4a,5,7,8,9,9a,10,10a-dodecahydropyrrolo[1,2-g][1,6]naphthyridine
CID 112714709
4-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]diazepine
CID 82416478
3-cyclopropyl-1-(1-methylpiperidin-4-yl)-1,4-diazepane
CID 64944124
6-cycloheptyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 82931358
6-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678482
2-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 170022407
3-pyrrolidin-2-yl-1-spiro[3.5]nonan-3-ylpiperidine
CID 102952491
ethane;6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 144987626
2-methyl-5-(1-methylpyrrolidin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155218522
ethane;1-(1-methylpyrrolidin-3-yl)azepane
CID 142272859
1-(3,3-dimethylbutyl)-3-pyrrolidin-2-ylpiperidine
CID 54885429

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-2-ylpiperidine (CID 62977717) is 1-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-2-ylpiperidine is CN1CCC(N2CCCC(C3CCCN3)C2)C1.
What is the InChIKey of 1-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-2-ylpiperidine?
The InChIKey is KRULFAIAHIDRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-16-9-6-13(11-16)17-8-3-4-12(10-17)14-5-2-7-15-14/h12-15H,2-11H2,1H3.
What are the key properties of 1-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-2-ylpiperidine?
1-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-2-ylpiperidine has a molecular weight of 237.39 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 62977717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).